2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide

C15H23N3O3 — CID 60875982

IUPAC2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H23N3O3/c1-4-13(5-2)17-15(19)11(3)16-10-12-6-8-14(9-7-12)18(20)21/h6-9,11,13,16H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyCWFPAWUFJVQRLQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.38
Rot. Bonds8

About 2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide

2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide (PubChem CID 60875982) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide
PubChem CID60875982
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H23N3O3/c1-4-13(5-2)17-15(19)11(3)16-10-12-6-8-14(9-7-12)18(20)21/h6-9,11,13,16H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyCWFPAWUFJVQRLQ-UHFFFAOYSA-N
XLogP2.38
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide
CID 43400092
2-[(4-nitrophenyl)methylamino]propanamide
CID 43402378
(2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol
CID 40727263
(2S)-3-methyl-N-[(4-nitrophenyl)methyl]butan-2-amine
CID 28833402
2,6-dimethyl-N-[(4-nitrophenyl)methyl]heptan-4-amine
CID 63450301
2-[(4-nitrophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 60875208
2-[(4-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 43399991
2-amino-3-methyl-N-[(4-nitrophenyl)methyl]pentanamide;hydrochloride
CID 119708450
(2S)-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide
CID 23625206
(3S)-3-methyl-4-(4-nitrophenyl)butanoic acid
CID 70958911
N-butan-2-yl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
CID 61066956
N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide
CID 47112942

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide (CID 60875982) is 2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide?
The InChIKey is CWFPAWUFJVQRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-13(5-2)17-15(19)11(3)16-10-12-6-8-14(9-7-12)18(20)21/h6-9,11,13,16H,4-5,10H2,1-3H3,(H,17,19).
What are the key properties of 2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide?
2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide has a molecular weight of 293.37 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 60875982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).